High-pressure high-temperature equation of state of graphite from Monte Carlo simulations
| Authors | |
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| Publication date | 2011 |
| Journal | Carbon |
| Volume | Issue number | 49 | 2 |
| Pages (from-to) | 364-368 |
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| Abstract | The thermoelastic behavior of graphite is experimentally accessible in a limited range of pressures and temperatures. Here we perform Monte Carlo simulations based on the accurate long range carbon bond-order potential (LCBOPII) in order to study graphite in a wider range of thermodynamic conditions. We present the volume-pressure equation of state and related thermoelastic properties up to 4000 K and 20 GPa. |
| Document type | Article |
| Language | English |
| Published at |
https://doi.org/10.1016/j.carbon.2010.09.029
(Final published version)
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